#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpp s LYS 2 N 0.00 3.15 0.55 0.03 2.47 -1.26 -5.00 119.74 119.68 2kpp s LYS 2 Ca 0.00 -0.20 -0.20 0.00 -1.56 0.00 0.00 55.97 54.01 2kpp s LYS 2 Cb 0.00 -4.26 -0.05 0.00 -1.46 0.00 0.00 37.83 32.06 2kpp s LYS 2 CO 0.00 -2.21 1.16 -0.80 0.16 0.00 0.00 175.35 173.66 2kpp s ASN 3 N 4.23 5.62 0.16 1.43 -0.87 -1.26 -4.96 114.94 119.29 2kpp s ASN 3 Ca 0.39 2.28 -0.31 0.00 -1.57 0.00 0.00 52.86 53.64 2kpp s ASN 3 Cb -0.08 -2.59 -0.11 0.00 -0.02 0.00 0.00 41.25 38.45 2kpp s ASN 3 CO 0.14 -1.29 1.72 -0.89 -2.57 0.00 0.00 177.10 174.21 2kpp s THR 4 N -1.67 2.38 0.08 1.60 2.01 -1.26 -4.92 115.64 113.86 2kpp s THR 4 Ca 0.73 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.70 2kpp s THR 4 Cb -0.27 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 2kpp s THR 4 CO 0.30 0.01 1.42 1.23 -0.69 0.00 0.00 174.62 176.89 2kpp h GLY 5 N 7.54 0.62 -7.29 4.40 0.00 -2.02 -3.38 103.07 102.93 2kpp h GLY 5 Ca -0.44 -0.60 -0.59 0.00 0.00 0.00 0.00 47.33 45.71 2kpp h GLY 5 CO 0.94 0.54 1.59 0.99 0.00 0.00 0.00 176.54 180.60 2kpp s ASP 6 N -6.32 6.44 0.14 0.19 1.11 -1.26 -4.87 116.67 112.09 2kpp s ASP 6 Ca -0.13 -1.61 -0.29 0.00 0.18 0.00 0.00 52.55 50.70 2kpp s ASP 6 Cb 0.08 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.43 2kpp s ASP 6 CO 0.79 -1.56 0.91 -1.61 1.18 0.00 0.00 175.17 174.88 2kpp s GLU 7 N 5.00 4.69 -0.02 8.23 2.02 -1.26 -4.96 118.70 132.40 2kpp s GLU 7 Ca 0.50 1.38 0.06 0.00 0.02 0.00 0.00 54.97 56.92 2kpp s GLU 7 Cb 0.00 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 2kpp s GLU 7 CO -0.05 0.33 -0.19 0.14 0.02 0.00 0.00 175.26 175.51 2kpp s VAL 8 N -0.38 1.48 -0.03 2.63 -7.23 -1.26 -0.32 120.40 115.29 2kpp s VAL 8 Ca 0.43 -0.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.88 2kpp s VAL 8 Cb -0.23 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2kpp s VAL 8 CO 0.29 0.42 -0.23 0.68 -0.31 0.00 0.00 175.10 175.95 2kpp s VAL 9 N -0.36 1.85 -0.38 1.32 -7.23 0.34 -1.17 120.40 114.77 2kpp s VAL 9 Ca 0.05 -0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 59.07 2kpp s VAL 9 Cb -0.08 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.32 2kpp s VAL 9 CO -0.00 0.52 0.43 0.00 -0.31 0.00 0.00 175.10 175.74 2kpp s ALA 10 N -0.42 3.46 -0.34 1.32 0.00 0.34 -1.52 121.76 124.59 2kpp s ALA 10 Ca 0.05 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 2kpp s ALA 10 Cb -0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2kpp s ALA 10 CO 0.00 -1.36 0.45 0.42 0.00 0.00 0.00 175.76 175.28 2kpp s ILE 11 N 2.16 5.08 -0.35 0.00 -1.09 0.49 -0.67 121.20 126.82 2kpp s ILE 11 Ca 0.13 0.23 -0.15 0.00 -2.23 0.00 0.00 60.65 58.63 2kpp s ILE 11 Cb -0.17 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 2kpp s ILE 11 CO 0.13 -0.16 0.36 -0.63 -1.23 0.00 0.00 174.94 173.41 2kpp s ILE 12 N 2.24 5.17 -0.09 2.92 1.09 0.10 -1.26 121.20 131.37 2kpp s ILE 12 Ca 0.16 -0.02 0.02 0.00 -1.10 0.00 0.00 60.65 59.71 2kpp s ILE 12 Cb -0.16 -3.84 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 2kpp s ILE 12 CO 0.13 -0.13 -0.14 -0.44 -0.10 0.00 0.00 174.94 174.25 2kpp s SER 13 N 1.74 3.98 -0.07 3.58 0.01 0.21 -1.18 113.70 121.97 2kpp s SER 13 Ca 0.11 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.13 2kpp s SER 13 Cb -0.17 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.84 2kpp s SER 13 CO 0.12 0.25 -0.15 -1.58 0.41 0.00 0.00 173.24 172.29 2kpp s GLN 14 N -0.16 1.92 -1.55 12.44 0.74 0.87 -0.39 119.66 133.52 2kpp s GLN 14 Ca -0.01 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 54.88 2kpp s GLN 14 Cb -0.13 -1.57 0.00 0.00 1.10 0.00 0.00 33.01 32.41 2kpp s GLN 14 CO 0.03 0.10 0.00 0.09 -0.55 0.00 0.00 175.29 174.96 2kpp n ASN 15 N 3.61 -4.97 0.00 6.67 5.03 -0.12 -1.77 115.26 123.71 2kpp n ASN 15 Ca -0.21 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.38 2kpp n ASN 15 Cb 0.52 -4.22 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 2kpp n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kpp n GLY 16 N -0.81 0.73 3.13 7.41 0.00 -1.26 -5.08 105.19 109.31 2kpp n GLY 16 Ca -0.20 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2kpp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpp s LYS 17 N -1.33 0.29 -0.15 1.61 -2.85 -0.73 -5.13 119.74 111.45 2kpp s LYS 17 Ca 0.00 0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.99 2kpp s LYS 17 Cb 0.00 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 2kpp s LYS 17 CO 0.00 -0.04 1.42 0.08 0.10 0.00 0.00 175.35 176.91 2kpp s VAL 18 N 0.08 4.01 -0.09 1.79 1.01 -1.26 -0.09 120.40 125.84 2kpp s VAL 18 Ca -0.00 1.20 0.21 0.00 0.00 0.00 0.00 61.98 63.38 2kpp s VAL 18 Cb -0.02 -3.83 -0.30 0.00 0.00 0.00 0.00 36.38 32.24 2kpp s VAL 18 CO 0.00 -0.16 0.37 2.30 0.00 0.00 0.00 175.10 177.61 2kpp n ILE 19 N 5.60 0.51 -3.61 2.22 -5.35 -0.33 -4.94 119.36 113.45 2kpp n ILE 19 Ca 0.15 -0.62 -0.07 0.00 -0.27 0.00 0.00 62.75 61.94 2kpp n ILE 19 Cb 0.44 -0.18 -0.05 0.00 -1.74 0.00 0.00 39.64 38.11 2kpp n ILE 19 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2kpp s ARG 20 N -3.16 0.35 -0.07 6.28 6.06 -1.18 -5.07 118.95 122.16 2kpp s ARG 20 Ca -0.08 0.14 0.01 0.00 -2.50 0.00 0.00 55.73 53.30 2kpp s ARG 20 Cb 0.11 0.17 0.02 0.00 0.06 0.00 0.00 34.95 35.31 2kpp s ARG 20 CO 0.88 -0.10 -0.08 -1.83 -2.50 0.00 0.00 175.30 171.67 2kpp s GLU 21 N -0.83 1.29 -0.25 5.12 -1.05 -1.26 -0.72 118.70 121.00 2kpp s GLU 21 Ca 0.03 -0.24 -0.03 0.00 -0.15 0.00 0.00 54.97 54.59 2kpp s GLU 21 Cb -0.02 -1.21 0.02 0.00 -0.44 0.00 0.00 34.13 32.48 2kpp s GLU 21 CO -0.04 -0.09 -0.04 0.42 0.95 0.00 0.00 175.26 176.46 2kpp s ILE 22 N 1.03 3.11 -0.02 1.83 1.09 0.16 -4.95 121.20 123.45 2kpp s ILE 22 Ca -0.09 -0.88 -0.30 0.00 -1.10 0.00 0.00 60.65 58.29 2kpp s ILE 22 Cb -0.14 -2.55 -0.06 0.00 -1.06 0.00 0.00 42.46 38.64 2kpp s ILE 22 CO -0.00 0.23 1.71 -2.84 -0.10 0.00 0.00 174.94 173.94 2kpp s PRO 23 N 1.38 4.18 -0.12 2.79 0.02 -1.26 -0.51 135.00 141.48 2kpp s PRO 23 Ca 0.02 2.28 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 2kpp s PRO 23 Cb -0.16 -3.98 -0.27 0.00 0.02 0.00 0.00 34.50 30.11 2kpp s PRO 23 CO -0.03 -0.85 0.79 -0.07 -0.33 0.00 0.00 177.00 176.50 2kpp h LEU 24 N 10.11 0.10 -8.98 -5.54 3.38 -1.48 -3.38 115.31 109.51 2kpp h LEU 24 Ca -0.42 -0.99 -0.59 0.00 0.09 0.00 0.00 57.88 55.98 2kpp h LEU 24 Cb 1.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kpp h LEU 24 CO 0.95 1.08 1.48 -0.89 0.09 0.00 0.00 178.44 181.15 2kpp s THR 25 N -2.26 3.03 0.00 0.22 2.01 -1.09 -1.06 115.64 116.49 2kpp s THR 25 Ca -0.18 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2kpp s THR 25 Cb -0.02 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.44 2kpp s THR 25 CO 0.72 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 2kpp n GLY 26 N 5.73 0.60 3.57 4.40 0.00 -1.26 -4.90 105.19 113.33 2kpp n GLY 26 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 2kpp n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kpp s HIS 27 N -2.31 2.06 -0.24 1.61 5.04 -0.22 -4.94 115.29 116.30 2kpp s HIS 27 Ca 0.00 0.12 -0.29 0.00 -1.54 0.00 0.00 55.06 53.35 2kpp s HIS 27 Cb 0.00 -4.21 -0.01 0.00 0.04 0.00 0.00 32.58 28.39 2kpp s HIS 27 CO 0.00 -1.64 1.43 -1.59 -2.34 0.00 0.00 174.74 170.60 2kpp s LYS 28 N 6.25 3.93 0.00 2.88 -2.85 -1.26 -3.92 119.74 124.77 2kpp s LYS 28 Ca 0.64 1.51 0.00 0.00 -1.00 0.00 0.00 55.97 57.12 2kpp s LYS 28 Cb -0.03 -3.93 0.00 0.00 -2.06 0.00 0.00 37.83 31.81 2kpp s LYS 28 CO 0.02 -1.11 0.00 0.41 0.10 0.00 0.00 175.35 174.77 2kpp n GLY 29 N 4.33 -1.18 3.36 0.59 0.00 -1.26 -4.97 105.19 106.06 2kpp n GLY 29 Ca 0.16 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 2kpp n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpp s ASN 30 N -4.00 3.57 -0.09 1.61 3.84 -1.26 -1.19 114.94 117.41 2kpp s ASN 30 Ca 0.00 -0.36 -0.05 0.00 0.21 0.00 0.00 52.86 52.66 2kpp s ASN 30 Cb 0.00 -0.92 0.04 0.00 -0.55 0.00 0.00 41.25 39.83 2kpp s ASN 30 CO 0.00 0.28 0.22 -0.70 -2.79 0.00 0.00 177.10 174.10 2kpp s GLU 31 N -0.33 0.17 0.09 0.43 2.12 -0.01 -5.02 118.70 116.15 2kpp s GLU 31 Ca 0.02 0.49 0.09 0.00 0.36 0.00 0.00 54.97 55.93 2kpp s GLU 31 Cb -0.13 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 2kpp s GLU 31 CO 0.02 -0.17 -0.25 -0.65 -0.54 0.00 0.00 175.26 173.68 2kpp s GLN 32 N 1.25 1.46 -0.07 4.30 -0.21 -1.26 -0.35 119.66 124.78 2kpp s GLN 32 Ca -0.09 -1.18 -0.11 0.00 0.02 0.00 0.00 55.36 54.00 2kpp s GLN 32 Cb -0.11 -1.76 0.02 0.00 1.00 0.00 0.00 33.01 32.17 2kpp s GLN 32 CO -0.08 0.43 0.28 -0.59 -2.12 0.00 0.00 175.29 173.21 2kpp s PHE 33 N -0.97 -0.24 -0.21 0.91 -0.71 -0.33 -5.01 117.98 111.42 2kpp s PHE 33 Ca 0.11 0.54 -0.08 0.00 -1.04 0.00 0.00 56.93 56.45 2kpp s PHE 33 Cb -0.10 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2kpp s PHE 33 CO 0.04 -0.23 0.09 0.99 -1.34 0.00 0.00 175.22 174.77 2kpp s THR 34 N -0.40 4.82 -0.06 -4.49 2.01 -1.26 -0.85 115.64 115.39 2kpp s THR 34 Ca -0.05 -0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 2kpp s THR 34 Cb -0.03 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 2kpp s THR 34 CO 0.02 0.41 0.52 -0.63 -0.69 0.00 0.00 174.62 174.24 2kpp s ILE 35 N 0.79 5.07 -0.23 1.82 1.01 0.64 -4.89 121.20 125.42 2kpp s ILE 35 Ca 0.04 1.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.67 2kpp s ILE 35 Cb -0.13 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 2kpp s ILE 35 CO 0.02 0.38 0.12 -0.54 0.00 0.00 0.00 174.94 174.93 2kpp s LYS 36 N 0.18 4.01 0.00 2.79 3.01 -1.26 -0.38 119.74 128.08 2kpp s LYS 36 Ca 0.28 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 54.93 2kpp s LYS 36 Cb -0.16 -3.43 0.00 0.00 -1.01 0.00 0.00 37.83 33.22 2kpp s LYS 36 CO 0.13 0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.50 2kpp n GLY 37 N 4.14 4.78 3.61 -3.33 0.00 0.65 -4.99 105.19 110.05 2kpp n GLY 37 Ca -0.16 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.33 2kpp n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpp n LYS 38 N -0.15 2.16 0.00 1.61 5.02 -1.26 -4.42 118.16 121.12 2kpp n LYS 38 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2kpp n LYS 38 Cb 0.00 -3.10 0.00 0.00 -0.02 0.00 0.00 35.03 31.91 2kpp n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kpp n GLY 39 N 5.42 1.86 0.74 0.72 0.00 -1.26 -3.15 105.19 109.53 2kpp n GLY 39 Ca 0.28 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.91 2kpp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpp n ALA 40 N 10.17 2.44 -2.23 4.61 0.00 -1.26 -4.92 120.51 129.32 2kpp n ALA 40 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 2kpp n ALA 40 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2kpp n ALA 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kpp s GLN 41 N -1.46 4.48 0.29 0.00 -1.52 -1.19 -4.97 119.66 115.29 2kpp s GLN 41 Ca 0.27 1.79 0.03 0.00 -1.95 0.00 0.00 55.36 55.50 2kpp s GLN 41 Cb 0.14 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.59 2kpp s GLN 41 CO 0.18 -0.14 0.17 1.52 -0.25 0.00 0.00 175.29 176.78 2kpp s TYR 42 N 0.45 1.54 -0.25 0.91 1.13 -1.26 -0.25 117.35 119.62 2kpp s TYR 42 Ca 0.55 -1.42 -0.02 0.00 -1.41 0.00 0.00 57.07 54.77 2kpp s TYR 42 Cb -0.30 -0.78 0.14 0.00 -1.10 0.00 0.00 41.96 39.92 2kpp s TYR 42 CO 0.33 -0.60 0.40 1.21 -2.51 0.00 0.00 175.55 174.38 2kpp s ASN 43 N -3.33 0.07 -0.56 -0.18 3.04 0.48 -4.12 114.94 110.34 2kpp s ASN 43 Ca 0.37 0.28 -0.24 0.00 0.04 0.00 0.00 52.86 53.31 2kpp s ASN 43 Cb 0.05 1.23 0.04 0.00 -1.54 0.00 0.00 41.25 41.03 2kpp s ASN 43 CO 0.18 -0.30 0.94 -0.22 -3.04 0.00 0.00 177.10 174.67 2kpp s LEU 44 N 2.58 4.14 -0.09 3.21 2.96 0.10 -0.26 118.68 131.32 2kpp s LEU 44 Ca 0.13 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.48 2kpp s LEU 44 Cb -0.15 -2.78 -0.05 0.00 0.50 0.00 0.00 46.19 43.71 2kpp s LEU 44 CO -0.17 -1.25 0.32 -0.04 -1.32 0.00 0.00 176.35 173.89 2kpp s MET 45 N 3.95 3.98 -0.10 1.98 -1.94 -0.03 -0.61 119.30 126.53 2kpp s MET 45 Ca 0.29 0.20 0.03 0.00 -1.71 0.00 0.00 55.69 54.49 2kpp s MET 45 Cb -0.13 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.41 2kpp s MET 45 CO 0.18 0.50 -0.18 -2.00 -0.01 0.00 0.00 175.02 173.51 2kpp s GLU 46 N -0.38 2.47 -0.34 2.03 2.12 -0.08 -1.19 118.70 123.33 2kpp s GLU 46 Ca 0.20 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 2kpp s GLU 46 Cb -0.14 -1.99 0.06 0.00 0.26 0.00 0.00 34.13 32.31 2kpp s GLU 46 CO 0.08 0.02 0.08 0.08 -0.54 0.00 0.00 175.26 174.99 2kpp s VAL 47 N 0.73 3.35 -0.29 3.70 1.01 0.53 -1.11 120.40 128.32 2kpp s VAL 47 Ca -0.11 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 2kpp s VAL 47 Cb -0.16 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2kpp s VAL 47 CO 0.02 -0.26 0.02 -0.62 0.00 0.00 0.00 175.10 174.27 2kpp s ASP 48 N 1.45 4.89 1.82 3.32 2.15 -0.28 -0.83 116.67 129.19 2kpp s ASP 48 Ca -0.01 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 51.95 2kpp s ASP 48 Cb -0.20 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 2kpp s ASP 48 CO -0.00 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 2kpp n GLY 49 N 4.73 3.89 1.56 2.66 0.00 -0.33 -2.35 105.19 115.34 2kpp n GLY 49 Ca -0.14 0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 2kpp n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpp n GLU 50 N 13.65 2.78 -3.91 1.61 1.02 -1.26 -4.24 120.64 130.28 2kpp n GLU 50 Ca 0.00 -3.06 -0.11 0.00 -0.02 0.00 0.00 57.16 53.98 2kpp n GLU 50 Cb 0.00 -2.02 -0.12 0.00 -0.02 0.00 0.00 31.44 29.28 2kpp n GLU 50 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kpp s ARG 51 N -3.08 0.21 0.16 3.49 1.70 -0.99 -4.69 118.95 115.74 2kpp s ARG 51 Ca 0.50 -0.29 0.09 0.00 -0.47 0.00 0.00 55.73 55.56 2kpp s ARG 51 Cb 0.42 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 2kpp s ARG 51 CO 0.08 -0.04 -0.20 -1.50 -1.08 0.00 0.00 175.30 172.56 2kpp s ILE 52 N -0.79 1.94 0.25 4.99 2.07 -0.32 -1.12 121.20 128.21 2kpp s ILE 52 Ca -0.09 -1.88 -0.19 0.00 -1.41 0.00 0.00 60.65 57.09 2kpp s ILE 52 Cb -0.05 -1.86 0.02 0.00 0.13 0.00 0.00 42.46 40.69 2kpp s ILE 52 CO -0.00 -0.21 0.62 0.00 -1.91 0.00 0.00 174.94 173.44 2kpp s ARG 53 N -2.59 1.63 -0.20 3.50 1.70 -0.26 -0.88 118.95 121.84 2kpp s ARG 53 Ca 0.15 -1.00 -0.19 0.00 -0.47 0.00 0.00 55.73 54.23 2kpp s ARG 53 Cb -0.07 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.84 2kpp s ARG 53 CO 0.07 -0.72 0.53 0.42 -1.08 0.00 0.00 175.30 174.51 2kpp s ILE 54 N -3.92 5.10 -0.12 4.99 1.01 -1.26 -0.90 121.20 126.09 2kpp s ILE 54 Ca 0.13 0.97 0.07 0.00 0.00 0.00 0.00 60.65 61.81 2kpp s ILE 54 Cb -0.04 -3.85 -0.23 0.00 0.01 0.00 0.00 42.46 38.35 2kpp s ILE 54 CO 0.05 0.17 0.34 1.17 0.00 0.00 0.00 174.94 176.67 2kpp n LYS 55 N 4.84 0.68 -3.64 2.79 4.81 0.22 -4.33 118.16 123.54 2kpp n LYS 55 Ca -0.04 0.21 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2kpp n LYS 55 Cb 0.50 -1.68 -0.07 0.00 0.02 0.00 0.00 35.03 33.80 2kpp n LYS 55 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2kpp s GLU 56 N -2.56 0.46 0.14 1.64 2.12 -1.20 -5.02 118.70 114.29 2kpp s GLU 56 Ca -0.15 0.56 -0.24 0.00 0.36 0.00 0.00 54.97 55.51 2kpp s GLU 56 Cb 0.07 0.21 0.07 0.00 0.26 0.00 0.00 34.13 34.75 2kpp s GLU 56 CO 0.78 -0.06 0.66 0.16 -0.54 0.00 0.00 175.26 176.26 2kpp s ASP 57 N 0.29 -0.51 -1.15 -1.70 -4.77 -1.26 -0.72 116.67 106.84 2kpp s ASP 57 Ca 0.03 -0.06 -0.08 0.00 -3.30 0.00 0.00 52.55 49.14 2kpp s ASP 57 Cb -0.05 0.58 0.25 0.00 -1.09 0.00 0.00 42.92 42.61 2kpp s ASP 57 CO -0.08 -0.95 1.48 -0.46 0.70 0.00 0.00 175.17 175.86 2kpp n ASN 58 N -0.37 5.73 -4.26 2.11 6.94 -1.26 -4.96 115.26 119.19 2kpp n ASN 58 Ca -0.14 -3.19 -0.24 0.00 -0.02 0.00 0.00 54.58 50.99 2kpp n ASN 58 Cb 0.64 -1.39 -0.13 0.00 -2.36 0.00 0.00 39.78 36.54 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2kpp s SER 59 N 0.26 2.41 0.00 0.53 1.04 -1.26 -4.84 113.70 111.84 2kpp s SER 59 Ca 0.35 -0.64 0.22 0.00 0.48 0.00 0.00 55.95 56.36 2kpp s SER 59 Cb 0.01 -0.14 1.23 0.00 0.10 0.00 0.00 66.02 67.22 2kpp s SER 59 CO 0.02 0.06 1.73 -0.81 0.98 0.00 0.00 173.24 175.22 2kpp n PRO 60 N 1.28 0.49 -0.06 4.02 -0.04 -1.26 -3.63 135.00 135.80 2kpp n PRO 60 Ca -0.19 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 2kpp n PRO 60 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2kpp n PRO 60 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kpp n ASP 61 N -1.16 2.24 -2.03 3.54 9.92 -1.26 -5.03 116.55 122.77 2kpp n ASP 61 Ca 0.13 0.02 -0.17 0.00 -0.53 0.00 0.00 54.79 54.24 2kpp n ASP 61 Cb 0.13 -0.27 -0.01 0.00 -0.64 0.00 0.00 41.12 40.34 2kpp n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kpp n GLN 62 N -3.14 -1.61 -0.30 -1.24 1.13 -1.24 -4.90 117.38 106.08 2kpp n GLN 62 Ca -0.23 0.84 0.07 0.00 -1.94 0.00 0.00 57.00 55.73 2kpp n GLN 62 Cb 0.71 -5.31 0.23 0.00 0.11 0.00 0.00 30.24 25.98 2kpp n GLN 62 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kpp h VAL 63 N -0.09 0.76 -0.70 5.09 2.07 -1.93 0.45 116.25 121.89 2kpp h VAL 63 Ca -0.42 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 66.96 2kpp h VAL 63 Cb 1.31 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 2kpp h VAL 63 CO 0.49 0.12 0.36 1.23 0.02 0.00 0.00 177.57 179.79 2kpp h GLY 64 N 0.67 1.04 1.14 2.17 0.00 -1.91 0.39 103.07 106.57 2kpp h GLY 64 Ca 0.47 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 2kpp h GLY 64 CO -0.35 0.09 0.13 -2.08 0.00 0.00 0.00 176.54 174.34 2kpp h VAL 65 N 0.63 1.26 -0.58 4.60 2.07 -1.13 -2.84 116.25 120.26 2kpp h VAL 65 Ca 0.33 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 2kpp h VAL 65 Cb 0.31 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2kpp h VAL 65 CO -0.24 0.37 0.10 0.11 0.02 0.00 0.00 177.57 177.94 2kpp h LYS 66 N 1.00 0.95 -0.63 1.57 6.56 -0.64 -3.21 116.57 122.16 2kpp h LYS 66 Ca 0.20 -0.25 0.05 0.00 -1.06 0.00 0.00 60.65 59.59 2kpp h LYS 66 Cb 0.39 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.89 2kpp h LYS 66 CO 0.01 0.90 0.36 0.52 -2.06 0.00 0.00 179.45 179.17 2kpp h MET 67 N 0.85 0.66 0.00 3.15 2.86 -0.71 -3.48 114.93 118.25 2kpp h MET 67 Ca 0.18 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2kpp h MET 67 Cb 0.40 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kpp h MET 67 CO 0.01 0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.83 2kpp n GLY 68 N -1.28 -1.57 3.76 8.32 0.00 -1.13 -4.93 105.19 108.37 2kpp n GLY 68 Ca 0.07 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 2kpp n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpp s TRP 69 N 0.00 2.68 -0.00 1.61 0.52 -1.26 -4.67 118.94 117.82 2kpp s TRP 69 Ca 0.00 1.49 0.02 0.00 0.02 0.00 0.00 56.10 57.63 2kpp s TRP 69 Cb 0.00 -3.49 -0.01 0.00 -1.15 0.00 0.00 33.47 28.82 2kpp s TRP 69 CO 0.00 -1.91 -0.06 0.15 0.02 0.00 0.00 176.95 175.15 2kpp s LYS 70 N -2.82 0.47 0.00 4.98 -0.14 -0.06 -4.97 119.74 117.20 2kpp s LYS 70 Ca 0.67 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 2kpp s LYS 70 Cb -0.32 -0.44 0.00 0.00 -1.68 0.00 0.00 37.83 35.40 2kpp s LYS 70 CO 0.38 0.12 0.04 -1.13 -0.76 0.00 0.00 175.35 173.99 2kpp n SER 71 N 2.84 0.00 -4.57 2.83 3.41 -1.26 -1.18 113.62 115.69 2kpp n SER 71 Ca -0.14 -0.76 -0.27 0.00 -0.26 0.00 0.00 58.87 57.45 2kpp n SER 71 Cb 0.58 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 2kpp n SER 71 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kpp s LYS 72 N 0.00 2.08 -0.86 4.33 -0.14 -1.26 -4.94 119.74 118.95 2kpp s LYS 72 Ca 0.00 -1.24 -0.25 0.00 -1.36 0.00 0.00 55.97 53.13 2kpp s LYS 72 Cb 0.00 -2.18 -0.05 0.00 -1.68 0.00 0.00 37.83 33.92 2kpp s LYS 72 CO 0.00 0.44 1.97 0.00 -0.76 0.00 0.00 175.35 177.00 2kpp s ALA 73 N -1.65 1.67 0.00 5.17 0.00 -1.26 -1.58 121.76 124.11 2kpp s ALA 73 Ca 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2kpp s ALA 73 Cb -0.09 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2kpp s ALA 73 CO 0.15 -4.77 0.00 0.41 0.00 0.00 0.00 175.76 171.55 2kpp n GLY 74 N 6.70 1.00 3.77 0.00 0.00 -0.66 -4.93 105.19 111.07 2kpp n GLY 74 Ca 0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 2kpp n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 75 N 0.00 6.09 0.09 1.61 1.01 -0.62 -4.83 116.67 120.02 2kpp s ASP 75 Ca 0.00 2.77 -0.05 0.00 0.71 0.00 0.00 52.55 55.98 2kpp s ASP 75 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2kpp s ASP 75 CO 0.00 -1.02 0.11 0.42 0.21 0.00 0.00 175.17 174.89 2kpp s THR 76 N -1.24 0.15 -0.18 -1.27 -4.23 -1.26 -0.86 115.64 106.75 2kpp s THR 76 Ca 0.59 -1.53 -0.00 0.00 -1.18 0.00 0.00 61.69 59.57 2kpp s THR 76 Cb -0.41 -1.57 0.05 0.00 1.34 0.00 0.00 72.50 71.91 2kpp s THR 76 CO 0.52 -0.69 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.22 2kpp s ILE 77 N -3.92 1.23 -0.28 2.99 -1.09 0.11 -4.97 121.20 115.26 2kpp s ILE 77 Ca 0.10 -0.78 -0.06 0.00 -2.23 0.00 0.00 60.65 57.68 2kpp s ILE 77 Cb 0.06 -1.42 0.01 0.00 -1.58 0.00 0.00 42.46 39.53 2kpp s ILE 77 CO -0.07 0.08 0.05 -0.69 -1.23 0.00 0.00 174.94 173.08 2kpp s VAL 78 N 1.57 3.82 -0.52 2.92 1.01 -1.26 -1.41 120.40 126.53 2kpp s VAL 78 Ca -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2kpp s VAL 78 Cb -0.16 -2.94 0.14 0.00 0.00 0.00 0.00 36.38 33.42 2kpp s VAL 78 CO -0.08 0.14 0.29 0.00 0.00 0.00 0.00 175.10 175.46 2kpp h LEU 80 N 6.36 0.52 -2.03 0.00 3.38 -1.95 0.76 115.31 122.35 2kpp h LEU 80 Ca -0.01 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.92 2kpp h LEU 80 Cb 0.88 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2kpp h LEU 80 CO 0.63 0.51 0.39 -0.65 0.09 0.00 0.00 178.44 179.41 2kpp h PRO 81 N 0.49 0.00 -0.01 1.13 0.11 -1.96 -0.73 132.00 131.03 2kpp h PRO 81 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2kpp h PRO 81 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2kpp h PRO 81 CO -0.01 0.00 -0.05 0.72 -0.21 0.00 0.00 178.00 178.45 2kpp n HIS 82 N -3.73 0.00 -2.83 0.65 8.25 -1.06 -5.00 115.22 111.50 2kpp n HIS 82 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 2kpp n HIS 82 Cb 0.56 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.69 2kpp n HIS 82 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kpp n LYS 83 N 0.30 -3.93 -4.23 -0.41 5.02 0.15 -4.79 118.16 110.29 2kpp n LYS 83 Ca 0.05 0.95 -0.35 0.00 -2.02 0.00 0.00 58.31 56.94 2kpp n LYS 83 Cb 0.22 -5.75 -0.10 0.00 -0.02 0.00 0.00 35.03 29.38 2kpp n LYS 83 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kpp s VAL 84 N -3.14 4.50 -0.09 -0.18 1.01 -0.55 -0.94 120.40 121.01 2kpp s VAL 84 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2kpp s VAL 84 Cb -0.09 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.38 2kpp s VAL 84 CO 0.26 0.55 0.06 0.12 0.00 0.00 0.00 175.10 176.09 2kpp s PHE 85 N -0.36 0.20 -0.16 5.22 5.36 0.47 -0.85 117.98 127.86 2kpp s PHE 85 Ca 0.08 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.01 2kpp s PHE 85 Cb -0.12 -0.60 -0.01 0.00 -0.34 0.00 0.00 43.02 41.94 2kpp s PHE 85 CO 0.02 -0.33 -0.10 0.08 -1.46 0.00 0.00 175.22 173.43 2kpp s VAL 86 N 2.13 3.16 -0.04 3.12 1.01 -0.50 -0.61 120.40 128.66 2kpp s VAL 86 Ca 0.04 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2kpp s VAL 86 Cb -0.14 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2kpp s VAL 86 CO -0.05 0.49 -0.24 -1.83 0.00 0.00 0.00 175.10 173.47 2kpp s GLU 87 N 0.74 2.32 -0.26 2.72 -1.05 -0.39 0.08 118.70 122.86 2kpp s GLU 87 Ca -0.04 -0.88 -0.09 0.00 -0.15 0.00 0.00 54.97 53.81 2kpp s GLU 87 Cb -0.15 -2.04 -0.04 0.00 -0.44 0.00 0.00 34.13 31.46 2kpp s GLU 87 CO 0.02 0.42 0.13 0.42 0.95 0.00 0.00 175.26 177.19 2kpp s ILE 88 N -0.28 4.83 0.07 1.83 1.01 -0.04 -0.38 121.20 128.24 2kpp s ILE 88 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.74 2kpp s ILE 88 Cb -0.12 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2kpp s ILE 88 CO 0.02 0.31 -0.21 -1.59 0.00 0.00 0.00 174.94 173.46 2kpp s LYS 89 N 1.58 1.30 0.20 2.79 -2.85 -0.58 -1.65 119.74 120.55 2kpp s LYS 89 Ca 0.06 -1.05 -0.08 0.00 -1.00 0.00 0.00 55.97 53.91 2kpp s LYS 89 Cb -0.15 -1.50 -0.07 0.00 -2.06 0.00 0.00 37.83 34.05 2kpp s LYS 89 CO 0.07 0.37 0.49 0.45 0.10 0.00 0.00 175.35 176.83 2kpp s SER 90 N -1.50 6.57 0.17 0.03 0.15 -1.26 -0.50 113.70 117.36 2kpp s SER 90 Ca 0.08 0.80 0.27 0.00 0.70 0.00 0.00 55.95 57.79 2kpp s SER 90 Cb -0.09 -2.18 0.90 0.00 -1.71 0.00 0.00 66.02 62.94 2kpp s SER 90 CO 0.03 -0.04 1.80 0.35 1.20 0.00 0.00 173.24 176.58 2kpp n THR 91 N -0.11 0.48 -3.17 6.45 -2.24 0.56 -4.80 114.28 111.46 2kpp n THR 91 Ca -0.01 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 2kpp n THR 91 Cb 0.52 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 2kpp n THR 91 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2kpp s GLN 92 N -3.08 4.35 0.71 -0.78 -1.52 -1.26 -5.00 119.66 113.08 2kpp s GLN 92 Ca 0.11 0.77 -0.16 0.00 -1.95 0.00 0.00 55.36 54.13 2kpp s GLN 92 Cb 0.14 -3.36 0.02 0.00 -0.22 0.00 0.00 33.01 29.59 2kpp s GLN 92 CO 0.58 0.31 1.25 0.36 -0.25 0.00 0.00 175.29 177.54 2kpp n LYS 93 N 2.92 0.76 -2.01 2.91 -0.00 -1.26 -5.04 118.16 116.44 2kpp n LYS 93 Ca -0.06 0.32 -0.19 0.00 -0.00 0.00 0.00 58.31 58.39 2kpp n LYS 93 Cb 0.51 -2.49 0.11 0.00 -0.00 0.00 0.00 35.03 33.16 2kpp n LYS 93 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kpp n ASP 94 N -2.39 0.87 -3.68 -5.58 5.75 -1.26 -5.14 116.55 105.11 2kpp n ASP 94 Ca 0.15 -1.79 -0.05 0.00 -0.01 0.00 0.00 54.79 53.09 2kpp n ASP 94 Cb 0.49 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 2kpp n ASP 94 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kpp s SER 95 N -4.29 -0.25 0.14 -1.12 0.15 -1.26 -5.20 113.70 101.87 2kpp s SER 95 Ca 0.53 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2kpp s SER 95 Cb -0.03 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 2kpp s SER 95 CO 0.36 -0.88 0.32 -1.59 1.20 0.00 0.00 173.24 172.65 2kpp s LYS 96 N -3.33 1.08 -0.34 5.44 0.00 -1.26 -5.14 119.74 116.19 2kpp s LYS 96 Ca 0.10 -0.96 -0.17 0.00 0.00 0.00 0.00 55.97 54.94 2kpp s LYS 96 Cb -0.02 0.41 -0.01 0.00 0.00 0.00 0.00 37.83 38.21 2kpp s LYS 96 CO -0.01 -0.40 0.44 -0.51 0.00 0.00 0.00 175.35 174.87 2kpp s ASP 97 N -2.89 6.25 0.50 0.03 1.01 -1.26 -4.93 116.67 115.39 2kpp s ASP 97 Ca 0.09 -0.10 0.26 0.00 0.71 0.00 0.00 52.55 53.52 2kpp s ASP 97 Cb 0.03 -2.23 1.33 0.00 1.01 0.00 0.00 42.92 43.05 2kpp s ASP 97 CO -0.06 -0.40 2.02 -0.65 0.21 0.00 0.00 175.17 176.28 2kpp h PRO 98 N 8.44 0.00 -5.81 8.23 0.11 -2.09 -3.40 132.00 137.48 2kpp h PRO 98 Ca -0.29 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.46 2kpp h PRO 98 Cb 1.14 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 2kpp h PRO 98 CO 0.73 0.15 0.91 -0.51 -0.21 0.00 0.00 178.00 179.07 2kpp s ASP 99 N -6.18 5.39 0.61 -2.05 1.11 -1.26 -4.98 116.67 109.31 2kpp s ASP 99 Ca -0.02 -0.72 -0.10 0.00 0.18 0.00 0.00 52.55 51.89 2kpp s ASP 99 Cb 0.13 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2kpp s ASP 99 CO 0.60 -2.50 1.01 0.42 1.18 0.00 0.00 175.17 175.87 2kpp s THR 100 N 9.11 4.65 -0.17 -1.27 -4.23 -1.26 -5.05 115.64 117.42 2kpp s THR 100 Ca 0.65 0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 61.73 2kpp s THR 100 Cb -0.06 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 2kpp s THR 100 CO -0.00 -1.08 0.62 1.51 -0.54 0.00 0.00 174.62 175.13 2kpp s ASP 101 N -4.18 6.72 -0.42 3.99 -4.77 -1.26 -5.04 116.67 111.71 2kpp s ASP 101 Ca 0.54 0.87 -0.18 0.00 -3.30 0.00 0.00 52.55 50.49 2kpp s ASP 101 Cb -0.11 -2.35 0.02 0.00 -1.09 0.00 0.00 42.92 39.39 2kpp s ASP 101 CO 0.53 -0.22 0.49 -0.22 0.70 0.00 0.00 175.17 176.44 2kpp s LEU 102 N 1.63 4.75 -0.35 2.11 2.96 -1.26 -5.04 118.68 123.48 2kpp s LEU 102 Ca 0.29 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 2kpp s LEU 102 Cb -0.16 -2.47 0.07 0.00 0.50 0.00 0.00 46.19 44.13 2kpp s LEU 102 CO 0.11 -0.61 0.11 -0.63 -1.32 0.00 0.00 176.35 174.00 2kpp s ILE 103 N 2.30 3.37 -0.17 6.68 -1.09 -1.26 -4.90 121.20 126.13 2kpp s ILE 103 Ca 0.15 -1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 56.99 2kpp s ILE 103 Cb -0.16 -3.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 2kpp s ILE 103 CO 0.15 -0.33 0.11 0.52 -1.23 0.00 0.00 174.94 174.16 2kpp n VAL 104 N 4.68 -9.44 -2.05 2.92 0.31 -1.26 -5.00 118.33 108.49 2kpp n VAL 104 Ca -0.09 1.81 -0.32 0.00 -0.01 0.00 0.00 64.34 65.73 2kpp n VAL 104 Cb 0.43 -5.57 0.01 0.00 -0.91 0.00 0.00 33.84 27.80 2kpp n VAL 104 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2kpp s PRO 105 N -0.85 3.43 0.52 5.55 0.04 -1.26 -5.04 135.00 137.39 2kpp s PRO 105 Ca -0.13 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 2kpp s PRO 105 Cb 0.01 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2kpp s PRO 105 CO 0.57 -0.71 1.15 0.54 0.04 0.00 0.00 177.00 178.59 2kpp s ASN 106 N -3.06 5.80 0.47 6.66 4.22 -1.26 -5.06 114.94 122.70 2kpp s ASN 106 Ca 0.61 2.24 0.01 0.00 -2.14 0.00 0.00 52.86 53.58 2kpp s ASN 106 Cb -0.14 -2.59 0.05 0.00 1.28 0.00 0.00 41.25 39.85 2kpp s ASN 106 CO 0.39 -1.17 0.38 0.18 -2.04 0.00 0.00 177.10 174.84 2kpp n LEU 107 N -1.09 0.00 0.00 3.54 7.99 -1.26 -5.15 117.00 121.04 2kpp n LEU 107 Ca 0.11 -0.87 0.00 0.00 -0.01 0.00 0.00 56.01 55.24 2kpp n LEU 107 Cb 0.50 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 2kpp n LEU 107 CO 0.44 -0.67 0.00 -1.84 -1.51 0.00 0.00 177.39 173.81 2kpp n GLU 108 N -1.69 2.18 -4.02 3.23 -0.00 -1.26 -5.13 120.64 113.95 2kpp n GLU 108 Ca 0.07 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.91 2kpp n GLU 108 Cb 0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 31.44 31.53 2kpp n GLU 108 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2kpp s HIS 109 N -0.79 3.62 -0.82 -1.84 -3.43 -1.26 -5.06 115.29 105.70 2kpp s HIS 109 Ca 0.00 -2.78 -0.25 0.00 -0.80 0.00 0.00 55.06 51.23 2kpp s HIS 109 Cb 0.00 -2.66 -0.05 0.00 -1.43 0.00 0.00 32.58 28.44 2kpp s HIS 109 CO 0.00 -0.93 1.98 -1.01 -2.00 0.00 0.00 174.74 172.78 2kpp s HIS 110 N 0.97 1.70 0.00 0.38 3.76 -1.26 -4.55 115.29 116.29 2kpp s HIS 110 Ca 0.05 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 55.77 2kpp s HIS 110 Cb -0.19 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.51 2kpp s HIS 110 CO -0.07 -1.86 0.00 1.58 -0.85 0.00 0.00 174.74 173.54 2kpp n HIS 111 N 14.22 0.00 -2.58 1.40 -0.00 -1.26 -5.05 115.22 121.95 2kpp n HIS 111 Ca 0.37 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.67 2kpp n HIS 111 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.44 2kpp n HIS 111 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpp s HIS 112 N -1.09 3.45 -0.30 1.57 3.76 -1.26 -5.01 115.29 116.41 2kpp s HIS 112 Ca 0.00 1.46 -0.13 0.00 -0.15 0.00 0.00 55.06 56.24 2kpp s HIS 112 Cb 0.00 -3.28 0.14 0.00 1.11 0.00 0.00 32.58 30.55 2kpp s HIS 112 CO 0.00 -0.66 0.81 -3.38 -0.85 0.00 0.00 174.74 170.66 2kpp s HIS 113 N 1.64 -1.00 -1.01 1.40 -3.43 -1.26 -5.25 115.29 106.39 2kpp s HIS 113 Ca 0.53 1.77 0.00 0.00 -0.80 0.00 0.00 55.06 56.56 2kpp s HIS 113 Cb -0.23 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2kpp s HIS 113 CO 0.24 -0.50 0.25 -2.39 -2.00 0.00 0.00 174.74 170.34